Structure Information
Structure

Compound Identification

SMILES

CCO\N=C(/C)C(CC1=CC=C(OCCSC2=CC=CC=C2)C=C1)C(O)=O

InChIKey

InChIKey=GKYDBHQMBATWRI-CJLVFECKSA-N

Formula

C21H25NO4S

Mass

387.49

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

3-phenylpropanoic-acid - Phenol ether - Phenoxy compound - Aryl thioether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Oxime ether - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.

External Descriptors

Not available

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